| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
C |
110 |
27 |
6645 |
◊ |
B |
x,y,z |
1_555 |
124 |
34 |
6553 |
1085.5 |
-13.3 |
0.154 |
15 |
0 |
0 |
0.395 |
2 |
|
B |
115 |
27 |
6553 |
◊ |
A |
x,y,z |
1_555 |
124 |
34 |
6472 |
1077.0 |
-12.7 |
0.211 |
14 |
0 |
0 |
0.395 |
3 |
|
C |
127 |
34 |
6645 |
◊ |
A |
x,y,z |
1_555 |
117 |
28 |
6472 |
1074.5 |
-13.0 |
0.198 |
15 |
0 |
0 |
0.395 |
| Average: |
1079.0 |
-13.0 |
0.187 |
15 |
0 |
0 |
0.395 |
| 2 |
4 |
|
C |
37 |
11 |
6645 |
◊ |
A |
-x,-y+1/2,z-1/2 |
4_554 |
42 |
15 |
6472 |
380.9 |
-2.1 |
0.536 |
7 |
0 |
0 |
0.000 |
| 3 |
5 |
|
C |
28 |
12 |
6645 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
10 |
6553 |
253.7 |
0.8 |
0.616 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
22 |
8 |
6553 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
28 |
11 |
6553 |
245.3 |
-1.1 |
0.510 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
13 |
4 |
6553 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
4 |
6472 |
164.4 |
0.0 |
0.561 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
18 |
5 |
6645 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
6 |
6553 |
137.6 |
-0.1 |
0.653 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6645 |
81.2 |
-12.0 |
0.727 |
6 |
0 |
0 |
0.099 |
| 8 |
10 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6472 |
80.8 |
-11.9 |
0.753 |
6 |
0 |
0 |
0.098 |
| 9 |
11 |
|
[SO4]B:201 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6553 |
79.1 |
-11.4 |
0.757 |
6 |
0 |
0 |
0.445 |
| 10 |
12 |
|
[SO4]B:201 |
4 |
1 |
187 |
◊ |
B |
x,-y,-z |
2_555 |
10 |
3 |
6553 |
67.1 |
-8.4 |
0.910 |
3 |
0 |
0 |
0.308 |
| 11 |
13 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6645 |
64.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.064 |
| 12 |
14 |
|
B |
9 |
6 |
6553 |
◊ |
B |
x,-y,-z |
2_555 |
9 |
6 |
6553 |
63.7 |
1.4 |
0.859 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
C |
6 |
2 |
6645 |
◊ |
B |
-x,-y+1/2,z-1/2 |
4_554 |
9 |
3 |
6553 |
59.7 |
1.5 |
0.851 |
2 |
2 |
0 |
0.000 |
| 14 |
16 |
|
A |
11 |
4 |
6472 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
6553 |
58.5 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
6553 |
58.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.269 |
| 16 |
18 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
6472 |
57.4 |
-7.4 |
0.771 |
0 |
0 |
0 |
0.050 |
| 17 |
19 |
|
C |
7 |
3 |
6645 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
7 |
1 |
6472 |
56.2 |
1.1 |
0.859 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[SO4]C:202 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
6645 |
51.9 |
-6.5 |
0.876 |
1 |
0 |
0 |
0.047 |
| 19 |
21 |
|
[SO4]C:202 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6553 |
49.3 |
-5.9 |
0.867 |
1 |
0 |
0 |
0.042 |
| 20 |
22 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
6472 |
49.0 |
-5.7 |
0.926 |
2 |
0 |
0 |
0.045 |
| 21 |
23 |
|
[SO4]A:201 |
4 |
1 |
186 |
◊ |
A |
x,-y+1,-z |
2_565 |
5 |
3 |
6472 |
41.1 |
-4.0 |
0.962 |
3 |
0 |
0 |
0.016 |
| 22 |
24 |
|
B |
5 |
2 |
6553 |
◊ |
A |
-x,-y+1/2,z-1/2 |
4_554 |
8 |
3 |
6472 |
38.8 |
0.7 |
0.748 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
C |
4 |
3 |
6645 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
6472 |
35.1 |
0.3 |
0.671 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[CL]C:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6472 |
10.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 25 |
27 |
|
B |
1 |
1 |
6553 |
◊ |
A |
x,-y,-z |
2_555 |
1 |
1 |
6472 |
3.1 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
A |
2 |
2 |
6472 |
◊ |
A |
x,-y+1,-z |
2_565 |
2 |
2 |
6472 |
0.6 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
|